(2-azanyl-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C19H19ClFN3O5S MolecularWeight: 455.887663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl

InChI

InChI=1S/C19H19ClFN3O5S/c20-16-6-1-13(19(26)29-12-18(22)25)11-17(16)30(27,28)24-9-7-23(8-10-24)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2,(H2,22,25)